2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine

C16H26N2O — CID 43253338

IUPAC2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
SMILESCC1CCCCN1CCOc1ccc(CCN)cc1
InChIInChI=1S/C16H26N2O/c1-14-4-2-3-11-18(14)12-13-19-16-7-5-15(6-8-16)9-10-17/h5-8,14H,2-4,9-13,17H2,1H3
InChIKeyDSDNPOSNUVUBNI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine

2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine (PubChem CID 43253338) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
PubChem CID43253338
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
SMILESCC1CCCCN1CCOc1ccc(CCN)cc1
InChIInChI=1S/C16H26N2O/c1-14-4-2-3-11-18(14)12-13-19-16-7-5-15(6-8-16)9-10-17/h5-8,14H,2-4,9-13,17H2,1H3
InChIKeyDSDNPOSNUVUBNI-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
[1-[2-[4-(2-aminoethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778148
4-[2-(2-methylpiperidin-1-yl)ethoxy]benzaldehyde
CID 6504237
2-methyl-1-[3-(4-pent-4-enylphenoxy)propyl]piperidine
CID 11857790
methyl 1-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrrolidine-2-carboxylate
CID 63382826
ethyl 2-amino-3-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]propanoate
CID 170886095
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
2-[4-[2-(3-methoxy-4-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 102956585
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine (CID 43253338) is 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine is CC1CCCCN1CCOc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
The InChIKey is DSDNPOSNUVUBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-4-2-3-11-18(14)12-13-19-16-7-5-15(6-8-16)9-10-17/h5-8,14H,2-4,9-13,17H2,1H3.
What are the key properties of 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine?
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 43253338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).